Vitas-M small molecule compound

(5E)-5-{3-ethoxy-4-[(4-nitrobenzyl)oxy]-5-(prop-2-en-1-yl)benzylidene}-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Catalog ID
STK187420
SMILES CCOc1cc(/C=C/2\C(=O)NC(=S)N(C2=O)C)cc(c1OCc1ccc(cc1)[N+](=O)[O-])CC=C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C24H23N3O6S MW 481.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23N3O6S/c1-4-6-17-11-16(12-19-22(28)25-24(34)26(3)23(19)29)13-20(32-5-2)21(17)33-14-15-7-9-18(10-8-15)27(30)31/h4,7-13H,1,5-6,14H2,2-3H3,(H,25,28,34)/b19-12+
InChIKey
VDNYMACGFLMYMO-XDHOZWIPSA-N
Synonyms

(5E)5((3ETHOXY4((4NITROPHENYL)METHOXY)5PROP2ENYLPHENYL)METHYLIDENE)1METHYL2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5(3ETHOXY4((4NITROBENZYL)OXY)5(PROP2EN1YL)BENZYLIDENE)1METHYL2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
5(3ALLYL5ETHOXY4((4NITROBENZYL)OXY)BENZYLIDENE)1METHYL2THIOXODIHYDRO46(1H5H)PYRIMIDINEDIONE
CCOC1=CC(=CC(=C1OCC2=CC=C(C=C2)(N+)(=O)(O))CC=C)C=C3C(=O)NC(=S)N(C3=O)C
CCOc1cc(C=C2C(=O)NC(=S)N(C2=O)C)cc(c1OCc1ccc(cc1)(N+)(=O)(O))CC=C
InChI=1SC24H23N3O6Sc146171116(121922(28)2524(34)26(3)23(19)29)1320(3252)21(17)3314157918(10815)27(30)31h4713H15614H223H3(H252834)b1912+
MFCD03696582
ZINC000000658746
ZINC658746

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Available files

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